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2,4-DICHLORO-1-HYDROXY-5,8-DIMETHOXY-6-METHYL-9H-XANTHEN-9-ONE;8-O-METHYLTHIOMELIN
SpectraBase Compound ID KVWFPZGiLBF
InChI InChI=1S/C16H12Cl2O5/c1-6-4-9(21-2)10-13(20)11-12(19)7(17)5-8(18)15(11)23-16(10)14(6)22-3/h4-5,19H,1-3H3
InChIKey FVGAQYQSEIMCEO-UHFFFAOYSA-N
Mol Weight 355.17 g/mol
Molecular Formula C16H12Cl2O5
Exact Mass 354.006179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4am3PhJJXSL
Name 9H-Xanthen-9-one, 2,4-dichloro-1-hydroxy-5,8-dimethoxy-6-methyl-
Alternate Name(s) 2,4-Dichloro-1-hydroxy-5,8-dimethoxy-6-methyl-9H-xanthen-9-one 8-O-methylthiomelin
CAS Registry Number 113734-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl2O5
InChI InChI=1S/C16H12Cl2O5/c1-6-4-9(21-2)10-13(20)11-12(19)7(17)5-8(18)15(11)23-16(10)14(6)22-3/h4-5,19H,1-3H3
InChIKey FVGAQYQSEIMCEO-UHFFFAOYSA-N
Molecular Weight 355.173 g/mol
SMILES Oc1c2C(c3c(cc(c(c3Oc2c(Cl)cc1Cl)OC)C)OC)=O
SPLASH splash10-0f79-0009000000-e8087696ec582f25c22a
Source of Spectrum B-40-1175-5
Wiley ID 1344312